methyl 2-[(3-ethyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]butanoate

Systemtic Name: methyl 2-[(3-ethyl-4-oxidanylidene-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]butanoate Openeye Name: methyl 2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]butanoate CAS Name: 2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)thio]butanoic acid methyl ester IUPAC Name: methyl 2-[(3-ethyl-4-oxo-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]butanoate Traditional Name: 2-[(3-ethyl-4-keto-5H-pyrimid[5,4-b]indol-2-yl)thio]butyric acid methyl ester Formula: C17H19N3O3S MolecularWeight: 345.41606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC)SC1=NC2=C(C(=O)N1CC)NC3=CC=CC=C32

Isomeric SMILES

CCC(C(=O)OC)SC1=NC2=C(C(=O)N1CC)NC3=CC=CC=C32

InChI

InChI=1S/C17H19N3O3S/c1-4-12(16(22)23-3)24-17-19-13-10-8-6-7-9-11(10)18-14(13)15(21)20(17)5-2/h6-9,12,18H,4-5H2,1-3H3